3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol

C8H14F5NO2 — CID 104840639

IUPAC3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
SMILESCCC(N)C(CO)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO2/c1-2-5(14)6(3-15)16-4-7(9,10)8(11,12)13/h5-6,15H,2-4,14H2,1H3
InChIKeyANKDSLFMQMPOCD-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.30
Rot. Bonds6

About 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol

3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol (PubChem CID 104840639) has the molecular formula C8H14F5NO2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
PubChem CID104840639
Molecular FormulaC8H14F5NO2
Molecular Weight251.19 g/mol
Exact Mass251.09
IUPAC Name3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
SMILESCCC(N)C(CO)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO2/c1-2-5(14)6(3-15)16-4-7(9,10)8(11,12)13/h5-6,15H,2-4,14H2,1H3
InChIKeyANKDSLFMQMPOCD-UHFFFAOYSA-N
XLogP1.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol
CID 104840592
3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
CID 114358137
2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine
CID 83044935
3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane
CID 14512779
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840399
4-amino-3-(trifluoromethyl)hexan-1-ol
CID 66092414
3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 114358390
hexane-3,4-diamine
CID 12656175
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
CID 170384161
3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol
CID 114358317

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
The IUPAC name of 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol (CID 104840639) is 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
The canonical SMILES for 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol is CCC(N)C(CO)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
The InChIKey is ANKDSLFMQMPOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F5NO2/c1-2-5(14)6(3-15)16-4-7(9,10)8(11,12)13/h5-6,15H,2-4,14H2,1H3.
What are the key properties of 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol has a molecular weight of 251.19 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol is sourced from PubChem (CID 104840639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).